(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C17H23N5O — CID 96566817

IUPAC(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C17H23N5O/c1-11-20-15-14(6-7-18-15)16(21-11)22-8-2-3-13(10-22)17(23)19-9-12-4-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,19,23)(H,18,20,21)/t13-/m0/s1
InChIKeyZXFNCILDBFJCGL-ZDUSSCGKSA-N
MW313.40 g/mol
LogP2.01
Rot. Bonds4

About (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 96566817) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID96566817
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C17H23N5O/c1-11-20-15-14(6-7-18-15)16(21-11)22-8-2-3-13(10-22)17(23)19-9-12-4-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,19,23)(H,18,20,21)/t13-/m0/s1
InChIKeyZXFNCILDBFJCGL-ZDUSSCGKSA-N
XLogP2.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

azepan-1-yl-[(3R)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 96567439
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
1-(3-chloro-4-methyl-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 75457578
(2S)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059752
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
CID 88937848
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 92889715
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 127267373

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 96566817) is (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZXFNCILDBFJCGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-20-15-14(6-7-18-15)16(21-11)22-8-2-3-13(10-22)17(23)19-9-12-4-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,19,23)(H,18,20,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 96566817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).